2-hydroxypropyl tris(2-methoxyethyl) silicate

C12H28O8Si — CID 123776315

IUPAC2-hydroxypropyl tris(2-methoxyethyl) silicate
SMILESCOCCO[Si](OCCOC)(OCCOC)OCC(C)O
InChIInChI=1S/C12H28O8Si/c1-12(13)11-20-21(17-8-5-14-2,18-9-6-15-3)19-10-7-16-4/h12-13H,5-11H2,1-4H3
InChIKeyRAOAGJKJZBGWTG-UHFFFAOYSA-N
MW328.43 g/mol
LogP-0.19
Rot. Bonds15

About 2-hydroxypropyl tris(2-methoxyethyl) silicate

2-hydroxypropyl tris(2-methoxyethyl) silicate (PubChem CID 123776315) has the molecular formula C12H28O8Si and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-hydroxypropyl tris(2-methoxyethyl) silicate.

Molecular Properties

Compound Name2-hydroxypropyl tris(2-methoxyethyl) silicate
PubChem CID123776315
Molecular FormulaC12H28O8Si
Molecular Weight328.43 g/mol
Exact Mass328.16
IUPAC Name2-hydroxypropyl tris(2-methoxyethyl) silicate
SMILESCOCCO[Si](OCCOC)(OCCOC)OCC(C)O
InChIInChI=1S/C12H28O8Si/c1-12(13)11-20-21(17-8-5-14-2,18-9-6-15-3)19-10-7-16-4/h12-13H,5-11H2,1-4H3
InChIKeyRAOAGJKJZBGWTG-UHFFFAOYSA-N
XLogP-0.19
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl tris(2-methoxyethyl) silicate?
The IUPAC name of 2-hydroxypropyl tris(2-methoxyethyl) silicate (CID 123776315) is 2-hydroxypropyl tris(2-methoxyethyl) silicate.
What is the SMILES notation for 2-hydroxypropyl tris(2-methoxyethyl) silicate?
The canonical SMILES for 2-hydroxypropyl tris(2-methoxyethyl) silicate is COCCO[Si](OCCOC)(OCCOC)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl tris(2-methoxyethyl) silicate?
The InChIKey is RAOAGJKJZBGWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O8Si/c1-12(13)11-20-21(17-8-5-14-2,18-9-6-15-3)19-10-7-16-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-hydroxypropyl tris(2-methoxyethyl) silicate?
2-hydroxypropyl tris(2-methoxyethyl) silicate has a molecular weight of 328.43 g/mol, XLogP of -0.19, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl tris(2-methoxyethyl) silicate is sourced from PubChem (CID 123776315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).